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DOE OSTI2025

Modeling of multi-component precipitation and crystallization for zero-liquid-discharge desalination

This study proposes novel ZLD treatment trains that integrate multi-component chemical precipitation and multi-effect evaporative crystallization for efficient brine management. The methodology emphasizes sustainability by integrating CO₂ for chemical precipitation and reducing environmental impact, exemplified with two case studies: produced water that includes industrial waste heat utilization by adopting the emerging vacuum air-gapped membrane distillation (VAGMD) technology, and brackish groundwater that is abundant in sulphate which undergoes treatment by low-salt-rejection reverse osmosis (LSRRO) with interstage chemical precipitation. Here, this study is the first of its kind to simultaneously account for reducing risk of mineral scaling and effective recovery of valuable solids when incorporating VAGMD and LSRRO in ZLD treatment trains. Using Reaktoro and WaterTAP, both Python-based, open-source platforms, we model the recovery of high-purity magnesium, calcium, and sodium salts while optimizing energy consumption and operational efficiency in proposed ZLD pathways for case studies of produced water and brackish desalination brine management. Validation with experimental and reference data confirms the reliability of the models used. In both case studies, the optimized ZLD process achieves recovery rates of 97%, 99%, and 90% for Mg, Ca, and Na, with purities exceeding 99%, and brine volume reduced to less than 4% of the initial feed flow.

3D CT scans↗

DOE OSTI2021

Humming Trains in Seismology: An Opportune Source for Probing the Shallow Crust

Abstract Seismologists are eagerly seeking new and preferably low-cost ways to map and track changes in the complex structure of the top few kilometers of the crust. By understanding it better, they can build on what is known regarding important, practical issues. These include telling us whether imminent earthquakes and volcanic eruptions are generating telltale underground signs of hazard, about mitigation of induced seismicity such as from deep injection of wastewater, how the Earth and its atmosphere couple, and where accessible natural resources are. Passive seismic imaging usually relies on blind correlations within extended recordings of Earth’s ceaseless “hum” or coda of well-mixed, small vibrations. In this article, we propose a complementary approach. It is seismic interferometry using opportune sources—specifically ones not stationary in time and moving in a well-understood configuration. Its interpretation relies on an accurate understanding of how these sources radiate seismic waves, precise timing, careful placement of pairs of listening stations, and seismic phase differentiation (surface and body waves). Massive freight trains were only recently recognized as such a persistent, powerful cultural (human activity-caused) seismic source. One train passage may generate a tremor with an energy output of a magnitude 1 earthquake and be detectable for up to 100 km from the track. We discuss the source mechanisms of train tremors and review the basic theory on sources. Finally, we present case studies of body- and surface-wave retrieval as an aid to mineral exploration in Canada and to monitoring of a southern California fault zone. We believe noise recovery from this new signal source, together with dense data acquisition technologies such as nodes or distributed acoustic sensing, will deeply transform our ability to monitor activity in the shallow crust at sharpened resolution in time and space.

Geochemistry & Geophysics↗

DOE OSTI2026

Ion-Specific Precipitation of Extractants Enables Rare-Earth Separation and Wastewater Remediation from Solvent Extraction of Critical Elements

The increasing demand for rare-earth elements (REEs) necessitates sustainable recovery strategies, particularly from secondary sources, such as electronic waste. Solvent extraction is the primary industrial method for REE separation; however, the unintentional dissolution of extractants into wastewater poses serious environmental risks, leading to organic contamination and process inefficiencies. Existing wastewater treatment methods struggle to remove these persistent pollutants, underscoring the need for innovative recovery approaches. Herein, we present a ligand-mediated precipitation strategy that simultaneously recovers REEs and removes dissolved extractants from solvent extraction wastewater. We show that residual extractants in the aqueous phase can selectively bind REEs, inducing their precipitation while leaving transition metals in solution. By integrating FTIR spectroscopy, EDS, XPS, EXAFS, and SAXS, we elucidate the mechanism of ion-specific precipitation and the local coordination environment of metal ions in the precipitate. Importantly, we demonstrate that the precipitated extractants can be efficiently recovered and reused, providing a closed-loop solution that enhances sustainability. Applying this method to leachates from samarium–cobalt (Sm–Co) and neodymium–iron–boron (NdFeB) mixed magnets, we achieve highly selective REE precipitation under mild conditions, demonstrating a scalable and cost-effective pathway for REE recovery, wastewater purification, and extractant recycling. In conclusion, by integrating element-specific ligand-mediated precipitation with extractant reuse, this work offers a transformative approach to REE separation that reduces the environmental impact while improving resource efficiency.

E-waste↗

DOE OSTI2021

Removing Atmospheric Fringes from Zwicky Transient Facility i-band Images using Principal Component Analysis

The Zwicky Transient Facility is a time-domain optical survey that has substantially increased our ability to observe and construct massive catalogs of astronomical objects by use of its 47 square degree camera that can observe in multiple filters. However the telescope’s i-band filter suffers from significant atmospheric fringes that reduce photometric precision, especially for faint sources and in multi-epoch co-additions. Here we present a method for constructing models of these atmospheric fringes using Principal Component Analysis that can be used to identify and remove these artifacts from contaminated images. In addition, we present the Uniform Background Indicator as a quantitative measurement of the reduced correlated background noise and photometric error present after removing fringes. We conclude by evaluating the effect of our method on measuring faint sources through the injection and recovery of artificial stars in both single-image epochs and co-additions. Our method for constructing atmospheric fringe models and applying those models to produce cleaned images is available for public download in the open source Python package fringez.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Radiological Dispersal Device (RDD) Recovery Guidance: After Action Report from Pilots - Responding to Feedback from Pilots Reviewing RDD Recovery Guidance

The goal of this After Action report is to utilize feedback from the pilot participants to improve the guidance for responding to radiological dispersal device (RDD) events, which can include deliberate acts to release radioactive materials into the environment using explosives or other means or accidental releases (e.g., release from a medical isotope source). This longer-term recovery guidance is an extension of the initial response guidance that was released in a 2017 interagency report called RDD Response Guidance: Planning for the First 100 Minutes. Recovery teams reviewed the longer-term recovery guidance during pilot sessions that were held in Harris County, Texas (March 8-10, 2022) and Seattle, Washington (May 2-3, 2022). The pilot teams reviewed the RDD Recovery Guidance Presentation, which contains a summary of the more detailed RDD Recovery Guidance draft document. The feedback from both pilots was grouped and binned into unique themes (e.g., “checkpoint challenges”) that align with the recovery missions and tactics that they reviewed. PNNL authors of the recovery guidance then prepared responses that describe how they recommend addressing the feedback for each theme. The responses typically included recommendation plans for improving the guidance document, but also described when no changes are needed because the guidance already contains the suggested improvement. These pilot recommendations will be brought to the interagency team to finalize plans for updating and improving recovery guidance materials.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

Study of Different Formulations for the Multiperiod Blending Problem Applied to Lithium Recovery from Produced Water

We present several formulations to solve the MPBP for the recovery of REE/CMs from produced water and propose a decomposition approach thatleverages strategies in general disjunctive programming to enhance its performance. We compare these proposed formulations/strategies via two illustrative case studies on recovering lithium from a network of produced water sources.

Ovalle, Daniel↗

DOE OSTI2023

Process-based cost estimation framework for assessing economic viability of environmentally and socially sustainable rare earth element feedstocks

Rare Earth Elements (REEs) are critical raw material inputs that are required to enable the energy transition. Constraints on the U.S. supply of conventional REE feedstocks and the desire to diversify U.S. reliance on foreign supply chains have motivated the pursuit of REE recovery from unconventional feedstocks including waste products. Recovery of REEs from unconventional sources is also motivated by environmental and social considerations, including the potential to offset new mining activity and subsidize the remediation of REE-containing wastes from coal, natural gas, and other mineral extraction activities. Sourcing REEs from unconventional feedstocks would reduce supply chain constraints and minimize the environmental impacts of REE extraction, but current processes to exploit these feedstocks have uncertain technical and economic performance and the processes have not been demonstrated at scale. This work aims to reduce uncertainty in evaluating the performance of new REE production pathways. A database of operating and capital expenses for REE recovery and establish consistent process unit costs for common stages in the conventional supply chain are developed. Market prices are used to develop well-defined methods for determining product values for a diverse set of products that can be generated (e.g. oxalates, alloys, end-use products such as magnets) but are not typically considered in technoeconomic analyses. Finally, to provide insight on the effects of economies of scale and feedstock purity on capital and operating costs, process unit level cost functions relating total costs per kilogram of REE produced are reported. These tools can be applied to assess and facilitate scale-up of REE production from diverse sources of REEs.

Fritz, Alison↗

DOE OSTI2023

Evaluation of mixed #3–7 plastic waste from material recovery facilities (MRFs) in the United States

Plastic recycling rates are still low in the United States (U.S.), with less than 10% of municipal solid waste (MSW) plastic being recycled. Most unrecycled plastics are identified by Resin Identification Codes (RIC) from #3–7, which are commonly destined for landfill or waste-to-energy facilities (WTE). Therefore, the composition and quality of outbound bales containing #3–7 plastics were assessed to understand the potential to increase recycling rates. Three bales were sourced from three different Material Recovery Facilities (MRFs) located in the United States. Each bale was manually sorted and characterized for quality and performance via multiple plastic characterization techniques. Considerable differences in bale composition were observed between MRFs, which correlated with the technology used by each MRF in the sorting process. The differences were substantial in the residual levels of poly(ethylene terephthalate) (PET) and high-density polyethylene (HDPE), which are highly desired for mechanical recycling processes and not expected in #3–7 plastics bales. Traditional recycling processes including washing, extrusion, and injection molding of the sorted material were employed prior to the physical, thermal, and molecular characterization. Despite differences in bale composition by plastic type, some polymer properties were similar across MRFs. Here, this research suggests that landfill-diverted mixed plastic waste can be utilized in the mechanical recycling of currently unrecycled materials, as processes can be designed to work with consistent polymer properties. It also highlights the need to upgrade the sorting systems to prevent waste feedstocks, which can be recycled with current technologies, from contaminating other plastic streams or reach landfills.

36 MATERIALS SCIENCE↗

DOE OSTI2026

CMPO-Functionalized Silica Sorbents for pH-Tunable Separation and Enrichment of Rare-Earth Elements from Environmental Matrices

Rare-earth elements (REEs) are crucial in many applications, yet mutual separation is challenging due to their similar chemical behavior. Octylphenyl- N,N-diisobutyl carbamoyl methyl phosphine oxide (CMPO) is an organophosphorus ligand originally developed for extracting actinides and lanthanides from spent nuclear fuel. Here, we report a pH-tunable CMPOfunctionalized silica sorbent for selective REE separation from complex aqueous matrices. A CMPO-associated silica gel sorbent was synthesized and characterized by Brunauer−Emmett−Teller (BET) surface area, scanning electron microscopy, and X-ray photoelectron spectroscopy to confirm the surface functionalization and binding behavior. Sorbent performance was evaluated by using a synthetic 46- element solution and a real phosphate rock fertilizer leachate. Notably, REEs were successfully eluted with ultrapure water, demonstrating reversible desorption controlled by pH adjustment. Packed-bed column studies increased the REE mass fraction from 3.6% to 64% (20-fold enrichment), with up to 30-fold enrichment of neodymium. The adsorption process follows the Langmuir isotherm behavior and follows pseudo-second-order kinetics. The uptake capacity of 1 μmol of REEs per 4.2 μmol of CMPO supports the formation of a predominantly 4:1 ligand:rare earth element(III) pseudocomplex. These results demonstrate CMPO-functionalized silica as a selective, water-elutable, and low-chemical-input platform for sustainable REE recovery from environmental and industrial sources.

chelating ligands↗

DOE OSTI2022

WPTO Comprehensive References [Poster]

Protecting hydroelectric plants from incidents that adversely impact their cyber-physical systems presents unique challenges due to the plants’ widely dispersed geographic locations and varied configurations as well as the relative nascent nature of the cyberattacks targeting these facilities. To help hydroelectric plants better respond to and mitigate cybersecurity incidents, this Department of Energy Water Power Technologies Office Cyber Comprehensive Reference list is to be used at a hydroelectric plant to quickly go to appropriate sources during the response and recovery of a cyber incident. In addition to this product, there are three other products meant to be distributed to a hydroelectric plant to assist in their cyber incident response and recovery. The first, a report on the processes of building a R&R flip book based on a large set of existing guidance. The second, a handy flip book meant to be distributed to hydroelectric plants to assist them during a cybersecurity incident occurring on a hydroelectic plant. And the third is a correlated alignment of the steps an hydroelectric plant operator would take for both a cyber incident as well as an emergency response process if the event rises to a cyber incident affecting the safe and reliable operations of a hydroelectric plant.

13 HYDRO ENERGY↗

DOE OSTI2024

OzDES Reverberation Mapping Program: Stacking analysis with Hβ, Mg ii , and C iv

ABSTRACT Reverberation mapping is the leading technique used to measure direct black hole masses outside of the local Universe. Additionally, reverberation measurements calibrate secondary mass-scaling relations used to estimate single-epoch virial black hole masses. The Australian Dark Energy Survey (OzDES) conducted one of the first multi-object reverberation mapping surveys, monitoring 735 AGN up to z ∼ 4, over 6 years. The limited temporal coverage of the OzDES data has hindered recovery of individual measurements for some classes of sources, particularly those with shorter reverberation lags or lags that fall within campaign season gaps. To alleviate this limitation, we perform a stacking analysis of the cross-correlation functions of sources with similar intrinsic properties to recover average composite reverberation lags. This analysis leads to the recovery of average lags in each redshift-luminosity bin across our sample. We present the average lags recovered for the Hβ, Mg ii, and C iv samples, as well as multiline measurements for redshift bins where two lines are accessible. The stacking analysis is consistent with the Radius–Luminosity relations for each line. Our results for the Hβ sample demonstrate that stacking has the potential to improve upon constraints on the R–L relation, which have been derived only from individual source measurements until now.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

A Fundamental Economic Assessment of Recovering Rare Earth Elements and Critical Minerals from Acid Mine Drainage Using a Network Sourcing Strategy

In recent years, acid mine drainage (AMD) has emerged as a promising unconventional source of rare earth elements (REEs) and other critical minerals (CMs) such as cobalt and manganese. In this regard, AMD provides a natural heap leaching effect that extracts and concentrates REE/CM from the host strata creating a partially enriched feedstock suitable for downstream extraction, separation, and recovery. While several prior studies have described processes and approaches for the valorization of AMD, very few have described the supply chain and infrastructure requirements as well as the associated economic assessment. To that end, this paper provides a fundamental economic assessment of REE/CM recovery from AMD using a network sourcing strategy in addition to a robust, flexible feedstock separations and refining facility. The methodology of this paper follows that of a typical techno-economic analysis with capital and operating costs estimated using AACE Class IV (FEL-2) guidelines. To demonstrate the range of possible outcomes, four pricing scenarios were modeled including contemporary prices (September, 2021) as well as the minimum and maximum prices over the last decade. In addition, five production scenarios were considered reflecting variations in the product suite, ranging from full elemental separation to magnet REE and CM production only (i.e., Pr, Nd, Tb, Dy, Y, Sc, Co, and Mn). The results of this analysis show that, with the exception of the minimum price scenario, all operational configurations have positive economic indicators with rates of return varying from 25% to 32% for the contemporary price scenario. The optimal configuration was determined to be production of Co, Mn, and all REEs except for mischmetal, which is not recovered. Sensitivity analysis and Monte Carlo simulation show that capital cost and HCl consumption are the two major factors influencing rate of return, thus indicating opportunities for future technology development and cost optimization. Implications of the study and a cooperative profit-sharing model for sourcing are also described.

42 ENGINEERING↗

DOE OSTI2021

USING ER@CEBAF TO SHOW THAT A MULTIPASS ERL CAN DRIVE AN XFEL

A multi-pass recirculating superconducting CW linac offers a cost effective path to a multi-user facility with unprecedented scientific and industrial reach over a wide range of disciplines. We propose such a facility as an option for a potential UK-XFEL. Energy Recovery enables multi-MHz FEL sources, for example, an X-ray FEL oscillator or regenerative amplifier FEL. Additionally, combining with external lasers and/or self-interaction would provide access to MeV and GeV gamma-rays via inverse Compton scattering at high average power for nuclear and particle physics applications. An opportunity exists to demonstrate the necessary point-to-parallel longitudinal matches to drive an XFEL and successfully energy recover at the upcoming 5-pass up, 5-pass down Energy Recovery experiment on CEBAF at JLab termed ER@CEBAF. We show candidate matches and simulations supporting the minimal necessary modifications to CEBAF this will require. This includes linearisation of the longitudinal phase space in the injector and a reduction in the dispersion of the arcs, both of which increase the energy acceptance of CEBAF. We expect to commence initial tests of these adaptations on CEBAF during 2021.

Perez-Segurana, G.↗

DOE OSTI2022

Microbial contribution to post-fire tundra ecosystem recovery over the 21st century

Abstract Tundra ecosystems have experienced an increased frequency of fire, and this trend is predicted to continue throughout the 21 st Century. Post-fire recovery is underpinned by complex interactions between microbial functional groups that drive nutrient cycling. Here we use a mechanistic model to demonstrate an acceleration of the nitrogen cycle post-fire driven by changes in niche space and microbial competitive dynamics. We show that over the first 5-years post-fire, fast-growing bacterial heterotrophs colonize regions of the soil previously occupied by slower-growing saprotrophic fungi. The bacterial heterotrophs mineralize organic matter, releasing nutrients into the soil. This pathway outweighs new sources of nitrogen and facilitates the recovery of plant productivity. We broadly show here that while consideration of distinct microbial metabolisms related to carbon and nutrient cycling remains rare in terrestrial ecosystem models, they are important when considering the rate of ecosystem recovery post-disturbance and the feedback to soil nutrient cycles on centennial timescales.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Public Health Response and Medical Management of Internal Contamination in Past Radiological or Nuclear Incidents: A Review

Following a radiological or nuclear emergency, workers, responders and the public may be internally contaminated with radionuclides. Screening, monitoring and assessing any internal contamination and providing necessary medical treatment, especially when a large number of individuals are involved, is challenging. Experience gained and lessons learned from the management of previous incidents would help to identify gaps in knowledge and capabilities on preparedness for and response to radiation emergencies. In this paper, eight largescale and five workplace radiological and nuclear incidents are reviewed cross 14 technical areas, under the broader topics of emergency preparedness, emergency response and recovery processes. The review findings suggest that 1) new strategies, algorithms and technologies are explored for rapid screening of large populations; 2) exposure assessment and dose estimation in emergency response and dose reconstruction in recovery process are supported by complementary sources of information, including ‘citizen science’; 3) surge capacity for monitoring and dose assessment is coordinated through national and international laboratory networks; 4) evidence-based guidelines for medical management and follow-up of internal contamination are urgently needed; 5) mechanisms for international and regional access to medical countermeasures are investigated and implemented; 6) long-term health and medical follow up programs are designed and justified; and 7) capabilities and capacity developed for emergency response are sustained through adequate resource allocation, routine nonemergency use of technical skills in regular exercises, training, and continuous improvement.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2025

Impact of post-irradiation annealing on mechanical performance of irradiated 718 alloy

Here, the effect of post-irradiation annealing on solution-annealed 718 alloy was investigated using advanced mechanical testing, fractography, scanning electron microscopy, and transmission electron microscopy. Specimens were extracted from a proton beam window operated at the Spallation Neutron Source, irradiated with 940 MeV protons to a maximum dose of approximately 9.7 displacements per atom (dpa) at a calculated temperature not exceeding 110 °C while in service. Helium and hydrogen concentrations reached about 1700 and 6900 atomic parts per million (appm), respectively. Despite irradiation and high tensile strength (yield stress over 1 GPa), the material exhibited significant ductility. Annealing at 500 °C, 700 °C, and 900 °C for 30 min resulted in an appreciable decrease in yield strength and an increase in ductility for annealing treatments at 500 °C and 900 °C relative to the strength and ductility of the as-irradiated material. The presence of helium and hydrogen led to cavity formation and cleavage-like brittle features on fractured surfaces; however, high-magnification imaging revealed the presence of small-scale ductile dimples, indicating that the fracture mechanism remained mixed. The annealed specimens retained total elongation levels of 14–33 %, and there was no sudden drop in ductility after heat treatments. The ductility level in the irradiated and annealed material is notable despite the presence of helium and hydrogen.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Techno-economic Analysis of CO2 Capture From Pulp/Paper Plants

This poster presentation evaluates the cost of capturing CO2 from a 400,000 air dried tonne (adt)/year pulp production plant, using Shell’s CANSOLV post-combustion capture process. There are five steps in a pulp/paper process: wood preparation, pulping, chemical recovery, bleaching and papermaking. There are three sources of CO2: combustion of waste wood in the wood-preparation step; combustion of black liquor, a product of pulping; and combustion of natural gas coupled with CO2 generated from calcination of limestone in the lime kiln used in chemical recovery. Standalone (pulp only) and integrated (pulp + paper) mills are modeled. The base case results and sensitivity analyses are displayed.

Mantripragada, Hari↗

DOE OSTI2020

Simulating the Geological Fate of Terrestrial Organic Matter: Lignin vs Cellulose

While shale gas has become a major source of energy, a more sustainable recovery requires a better understanding of the gas/kerogen matrix interactions. Here, we use replica exchange molecular dynamics to investigate the geological conversion of two important classes of gas-forming constituents of the terrestrial organic matter: lignin and cellulose. In agreement with results from pyrolysis experiments, we show that lignin produces twice as much kerogen and 5 times more methane than cellulose. In addition, while ex-cellulose kerogen is relatively stiff and almost nonporous, ex-lignin kerogen, despite having a very similar composition and bonding, is an order of magnitude more compliant due to the presence of large micropores. The obtained results can potentially improve the nanoscale brick of bottom-up models of shale gas recovery.

58 GEOSCIENCES↗